3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide

C14H12F3N3O3S — CID 8505623

IUPAC3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESCC(=O)c1cccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C14H12F3N3O3S/c1-9(21)10-3-2-4-12(7-10)24(22,23)20-19-13-6-5-11(8-18-13)14(15,16)17/h2-8,20H,1H3,(H,18,19)
InChIKeyGKUGSQJNRWNGHK-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.61
Rot. Bonds5

About 3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide

3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (PubChem CID 8505623) has the molecular formula C14H12F3N3O3S and a molecular weight of 359.33 g/mol. Its IUPAC name is 3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.

Molecular Properties

Compound Name3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
PubChem CID8505623
Molecular FormulaC14H12F3N3O3S
Molecular Weight359.33 g/mol
Exact Mass359.06
IUPAC Name3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESCC(=O)c1cccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C14H12F3N3O3S/c1-9(21)10-3-2-4-12(7-10)24(22,23)20-19-13-6-5-11(8-18-13)14(15,16)17/h2-8,20H,1H3,(H,18,19)
InChIKeyGKUGSQJNRWNGHK-UHFFFAOYSA-N
XLogP2.61
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The IUPAC name of 3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (CID 8505623) is 3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.
What is the SMILES notation for 3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The canonical SMILES for 3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide is CC(=O)c1cccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The InChIKey is GKUGSQJNRWNGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3S/c1-9(21)10-3-2-4-12(7-10)24(22,23)20-19-13-6-5-11(8-18-13)14(15,16)17/h2-8,20H,1H3,(H,18,19).
What are the key properties of 3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide has a molecular weight of 359.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide is sourced from PubChem (CID 8505623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).